ChemSpider 2D Image | (2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2R,3R,6R)-4,5-diacetamido-3,6-dihydroxytetrahydro-2H-pyran-2-c arboxylate (non-preferred name) | C19H28N4O18P2

(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2R,3R,6R)-4,5-diacetamido-3,6-dihydroxytetrahydro-2H-pyran-2-c arboxylate (non-preferred name)

  • Molecular FormulaC19H28N4O18P2
  • Average mass662.389 Da
  • Monoisotopic mass662.087402 Da
  • ChemSpider ID68026722

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R,6R)-4,5-Diacétamido-3,6-dihydroxytétrahydro-2H-pyrane-2-carboxylate de (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}méthyl)tétrah ydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2R,3R,6R)-4,5-diacetamido-3,6-dihydroxytetrahydro-2H-pyran-2-c arboxylate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl-(2R,3R,6R)-4,5-diacetamido-3,6-dihydroxytetrahydro-2H-pyran-2-c arboxylat (non-preferred name) [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.97
ACD/LogD (pH 5.5): -10.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 104.8±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

Click to predict properties on the Chemicalize site


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